8,9-dihydroxy-p-mentha-1-en-7-oic acid glucuronide

Identification

PhytoHub ID
PHUB002611
Name
8,9-dihydroxy-p-mentha-1-en-7-oic acid glucuronide
Systematic Name
8,9 dihydroxy-p-menth-1-en-7-oic acid glucuronide
Synonyms
  • 8-hydroxy-p-menth-1-en-7-oic acid-9-glucuronide
CAS Number
Not Available
Average Mass
376.358
Monoisotopic Mass
376.136946973
Chemical Formula
C16H24O10
IUPAC Name
5-[2-(4-carboxycyclohex-3-en-1-yl)-2-hydroxypropoxy]-3,4,6-trihydroxyoxane-2-carboxylic acid
InChI Key
YZZZVFBCHFYOKY-UHFFFAOYNA-N
InChI Identifier
InChI=1/C16H24O10/c1-16(24,8-4-2-7(3-5-8)13(19)20)6-25-12-10(18)9(17)11(14(21)22)26-15(12)23/h2,8-12,15,17-18,23-24H,3-6H2,1H3,(H,19,20)(H,21,22)
SMILES
CC(O)(COC1C(O)OC(C(O)C1O)C(O)=O)C1CCC(=CC1)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.41e+01 g/l
LogS (ALOGPS)
-1.43
LogP (ALOGPS)
-0.72
Hydrogen Acceptors
10
Hydrogen Donors
6
Rotatable Bond Count
6
Polar Surface Area
173.98
Refractivity
84.0035
Polarizability
36.71758682317463
Formal Charge
Not Available
Physiological Charge
Not Available
pKa (strongest basic)
-3.2297596906476698
pKa (strongest acidic)
3.28389065388416
Number of Rings
Not Available
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Taxonomy of its Precursor(s)

PrecursorFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Precursor(s)

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Limonene 8,9-dihydroxy-p-mentha-1-en-7-oic acid glucuronidemouse ratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H24O10376.136946973 Publications
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